SCHEMBL31661810

SCHEMBL31661810

Cc1cc(-c2nc(C(F)(F)F)cn2C)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
PTGS2 P35354 8/20 0.42
PTGS1 P23219 5/20 0.42
USP1 O94782 2/20 0.42
AR P10275 3/20 0.41
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NSD2 O96028 1/20 0.38
S1PR1 P21453 1/20 0.37
CNR1 P21554 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31661817 1.00 SCN9A (0.46) SCN9APTGS2PTGS1USP1AR
SCHEMBL30790422 0.88 CYP11B2 (0.47) SCN9APTGS2USP1EGLN2CYP11B1
SCHEMBL25975389 0.88 CYP11B2 (0.47) SCN9APTGS2USP1EGLN2CYP11B1
SCHEMBL31537604 0.85 SCN9A (0.48) SCN9APTGS2PTGS1USP1AR
SCHEMBL31661801 0.85 SCN9A (0.46) SCN9APTGS2PTGS1USP1AR
SCHEMBL25975390 0.85 SCN9A (0.48) SCN9APTGS2PTGS1USP1AR
SCHEMBL18865809 0.80 CYP11B2 (0.47) SCN9APTGS2PTGS1USP1CYP11B2
SCHEMBL29864537 0.76 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL29863855 0.76 PTGS2 (0.42) PTGS2PTGS1USP1
SCHEMBL29863927 0.76 PTGS2 (0.42) PTGS2PTGS1USP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed